acemetacin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
anti-inflammatory, indometacin derivatives 47 53164-05-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • Bay f 4975
  • TVX 1322
  • acemetacin
  • acemet
  • acemethacin
  • acemethazine
  • rantudil
  • Molecular weight: 415.83
  • Formula: C21H18ClNO6
  • CLOGP: 4.20
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 1
  • TPSA: 94.83
  • ALOGS: -5.26
  • ROTB: 7

Drug dosage:

DoseUnitRoute
0.12 g O

ADMET properties:

PropertyValueReference
S (Water solubility) 0.06 mg/mL Bocci G, Oprea TI, Benet LZ
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Bocci G, Oprea TI, Benet LZ
BA (Bioavailability) 66 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,IKBKB,ITK,MAP2K6,MAPK7,MAPKAPK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC,TEK,TGFBR1 29
kinase-selectivity-class ACVR2B,AXL,BRAF,DYRK1B,EIF2AK3,GRK2,MAP2K6,MAPK7,PDK4,STK33,TTK 11
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 5.212 High 0.83
pfas-class PFAS structural alert (1 = True, 0 = False) 0
rat-kpuu-brain Rat brain Kpuu 0.027 % High 0.83

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Axial spondyloarthritis 108.04 52.04 16 980 615 90626836
Residual urine volume increased 98.84 52.04 12 984 95 90627356
Postoperative adhesion 81.40 52.04 12 984 446 90627005
Osteochondrosis 71.14 52.04 13 983 1830 90625621
Rotator cuff syndrome 70.42 52.04 19 977 15900 90611551
Spinal osteoarthritis 62.45 52.04 18 978 19130 90608321
Reactive gastropathy 55.24 52.04 9 987 645 90626806
Hypertonic bladder 54.43 52.04 12 984 4336 90623115
Functional gastrointestinal disorder 52.62 52.04 12 984 5050 90622401

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Axial spondyloarthritis 110.16 54.72 16 463 529 42620327

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Axial spondyloarthritis 136.29 43.10 20 1008 858 110587413
Residual urine volume increased 100.85 43.10 12 1016 95 110588176
Postoperative adhesion 80.55 43.10 12 1016 569 110587702
Osteochondrosis 62.96 43.10 12 1016 2509 110585762
Intervertebral disc protrusion 54.63 43.10 17 1011 27681 110560590
Hypertonic bladder 54.06 43.10 12 1016 5290 110582981
Functional gastrointestinal disorder 52.49 43.10 12 1016 6037 110582234
Ovarian cyst 47.13 43.10 13 1015 13917 110574354

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC M01AB11 MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Acetic acid derivatives and related substances
MeSH PA D000700 Analgesics
MeSH PA D000893 Anti-Inflammatory Agents
MeSH PA D000894 Anti-Inflammatory Agents, Non-Steroidal
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D018501 Antirheumatic Agents
MeSH PA D018689 Sensory System Agents
MeSH PA D018712 Analgesics, Non-Narcotic
CHEBI has role CHEBI:35475 non-steroidal anti-inflammatory drug
CHEBI has role CHEBI:35481 non-narcotic analgesic
CHEBI has role CHEBI:35544 EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
CHEBI has role CHEBI:50266 prodrug

Related Drugs by ATC class:

M01AB Acetic acid derivatives and related substances 16 drugs
aceclofenacalclofenacbufexamacbumadizonediclofenacdifenpiramideetodolacfentiazacindomethacinketorolaclonazolacoxametacin show all 16 →

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Ankylosing spondylitis indication 9631008 DOID:7147
Rheumatism indication 396332003




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.15 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Prostaglandin G/H synthase 2 Enzyme INHIBITOR IC50 8 CHEMBL KEGG DRUG
Prostaglandin G/H synthase 1 Enzyme INHIBITOR IC50 8 CHEMBL KEGG DRUG
Lactoylglutathione lyase Enzyme Ki 4.89 CHEMBL

External reference:

IDSource
D01582 KEGG_DRUG
16695 RXNORM
C0050409 UMLSCUI
CHEBI:31162 CHEBI
CHEMBL189171 ChEMBL_ID
DB13783 DRUGBANK_ID
C026784 MESH_SUPPLEMENTAL_RECORD_UI
1981 PUBCHEM_CID
3664 INN_ID
5V141XK28X UNII
C519896 MESH_SUPPLEMENTAL_RECORD_UI
003916 NDDF
329906008 SNOMEDCT_US
391704009 SNOMEDCT_US

Pharmaceutical products:

None